N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

C23H29N3O5S — CID 5152111

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H29N3O5S/c1-17(2)18-3-6-20(7-4-18)32(28,29)26-11-9-25(10-12-26)16-23(27)24-19-5-8-21-22(15-19)31-14-13-30-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,27)
InChIKeyWSDPTZRFLXDATA-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.53
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 5152111) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID5152111
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C23H29N3O5S/c1-17(2)18-3-6-20(7-4-18)32(28,29)26-11-9-25(10-12-26)16-23(27)24-19-5-8-21-22(15-19)31-14-13-30-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,27)
InChIKeyWSDPTZRFLXDATA-UHFFFAOYSA-N
XLogP2.53
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 15994622
N-(3-fluoro-4-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4244458
N-(1,3-benzodioxol-5-yl)-2-[4-(4-bromophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3237119
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8747981
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16593473
N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 41154955
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5243998
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide
CID 2482265

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 5152111) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is WSDPTZRFLXDATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17(2)18-3-6-20(7-4-18)32(28,29)26-11-9-25(10-12-26)16-23(27)24-19-5-8-21-22(15-19)31-14-13-30-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 5152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).